2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

• ChemBase ID: 566262
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: C12(C(=O)N(c3c1cccc3)CC(=O)N)CN(c1oc(nn1)C1CCC1)CC2
• Canonical SMILES: NC(=O)CN1c2ccccc2C2(C1=O)CCN(C2)c1nnc(o1)C1CCC1
• InChI: InChI=1S/C19H21N5O3/c20-15(25)10-24-14-7-2-1-6-13(14)19(17(24)26)8-9-23(11-19)18-22-21-16(27-18)12-4-3-5-12/h1-2,6-7,12H,3-5,8-11H2,(H2,20,25)
• InChIKey: UMVCGQNGXWVHCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
• IUPAC Traditional name: 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
• Synonyms: 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.062852
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.56483924
• LogD (pH = 7.4): 0.5648396
• Log P: 0.5648396
• Molar Refractivity: 98.7913 cm^3
• Polarizability: 36.63654 Å^3
• Polar Surface Area: 105.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.35
• LOG S: -2.79
• Polar Surface Area: 105.56 Å^2
• Rotatable Bonds: 4